5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole

C24H16BrIN2O — CID 71518747

IUPAC5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole
SMILESCOc1ccc(-c2c3cc(Br)c4ccccc4c3nn2-c2ccc(I)cc2)cc1
InChIInChI=1S/C24H16BrIN2O/c1-29-18-12-6-15(7-13-18)24-21-14-22(25)19-4-2-3-5-20(19)23(21)27-28(24)17-10-8-16(26)9-11-17/h2-14H,1H3
InChIKeyVJIWEHCLALYIDP-UHFFFAOYSA-N
MW555.21 g/mol
LogP7.22
Rot. Bonds3

About 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole

5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole (PubChem CID 71518747) has the molecular formula C24H16BrIN2O and a molecular weight of 555.21 g/mol. Its IUPAC name is 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole.

Molecular Properties

Compound Name5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole
PubChem CID71518747
Molecular FormulaC24H16BrIN2O
Molecular Weight555.21 g/mol
Exact Mass553.95
IUPAC Name5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole
SMILESCOc1ccc(-c2c3cc(Br)c4ccccc4c3nn2-c2ccc(I)cc2)cc1
InChIInChI=1S/C24H16BrIN2O/c1-29-18-12-6-15(7-13-18)24-21-14-22(25)19-4-2-3-5-20(19)23(21)27-28(24)17-10-8-16(26)9-11-17/h2-14H,1H3
InChIKeyVJIWEHCLALYIDP-UHFFFAOYSA-N
XLogP7.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.21
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-1,4-diphenylpyrazolo[3,4-c]quinoline
CID 132918864
7-bromo-5-methoxy-2-(4-methoxyphenyl)-3-methylindazole
CID 176556568
3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
CID 175875241
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
3-(4-bromophenyl)-6-(4-methoxyphenyl)-1-phenylpyrazolo[5,4-b]pyridine
CID 2794308
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
1,3,5-tris(4-methoxyphenyl)-4-(2-methylpropyl)pyrazole
CID 10527185
5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 156773816
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
3-bromo-1-(4-methoxyphenyl)pyrazole
CID 84707783
10-bromo-8-methoxypyrido[1,2-b]indazole
CID 56971526

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole?
The IUPAC name of 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole (CID 71518747) is 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole.
What is the SMILES notation for 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole?
The canonical SMILES for 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole is COc1ccc(-c2c3cc(Br)c4ccccc4c3nn2-c2ccc(I)cc2)cc1.
What is the InChIKey of 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole?
The InChIKey is VJIWEHCLALYIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrIN2O/c1-29-18-12-6-15(7-13-18)24-21-14-22(25)19-4-2-3-5-20(19)23(21)27-28(24)17-10-8-16(26)9-11-17/h2-14H,1H3.
What are the key properties of 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole?
5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole has a molecular weight of 555.21 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-iodophenyl)-3-(4-methoxyphenyl)benzo[g]indazole is sourced from PubChem (CID 71518747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).